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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036349

(2R,3R,4S,5S,6R)-2-[[(1S,2R,3R)-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C34H48O18  |  Mol. Weight: 744.70 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(1S,2R,3R)-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C34H48O18
Molecular Weight 744.70 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)OC4C(C(C(C(O4)CO)O)O)O)OC)CO)COC5C(C(C(C(O5)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy